4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

C20H18N8O — CID 59548178

IUPAC4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccccn3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C20H18N8O/c1-12-25-19(28-20(21)26-12)15-9-13(16-5-3-4-8-22-16)10-24-18(15)27-14-6-7-17(29-2)23-11-14/h3-11H,1-2H3,(H,24,27)(H2,21,25,26,28)
InChIKeyLLLMDFBWRUCEFN-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.03
Rot. Bonds5

About 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548178) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548178
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(-c3ccccn3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C20H18N8O/c1-12-25-19(28-20(21)26-12)15-9-13(16-5-3-4-8-22-16)10-24-18(15)27-14-6-7-17(29-2)23-11-14/h3-11H,1-2H3,(H,24,27)(H2,21,25,26,28)
InChIKeyLLLMDFBWRUCEFN-UHFFFAOYSA-N
XLogP3.03
TPSA124.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548178) is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ncc(-c3ccccn3)cc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is LLLMDFBWRUCEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c1-12-25-19(28-20(21)26-12)15-9-13(16-5-3-4-8-22-16)10-24-18(15)27-14-6-7-17(29-2)23-11-14/h3-11H,1-2H3,(H,24,27)(H2,21,25,26,28).
What are the key properties of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 386.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-pyridin-2-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).